2-[4-[(2R)-2-amino-2-phenylacetyl]thiomorpholin-3-yl]acetic acid

C14H18N2O3S — CID 66444371

IUPAC2-[4-[(2R)-2-amino-2-phenylacetyl]thiomorpholin-3-yl]acetic acid
SMILESN[C@@H](C(=O)N1CCSCC1CC(=O)O)c1ccccc1
InChIInChI=1S/C14H18N2O3S/c15-13(10-4-2-1-3-5-10)14(19)16-6-7-20-9-11(16)8-12(17)18/h1-5,11,13H,6-9,15H2,(H,17,18)/t11?,13-/m1/s1
InChIKeySYEZNPFGVCXKNY-GLGOKHISSA-N
MW294.38 g/mol
LogP1.11
Rot. Bonds4

About 2-[4-[(2R)-2-amino-2-phenylacetyl]thiomorpholin-3-yl]acetic acid

2-[4-[(2R)-2-amino-2-phenylacetyl]thiomorpholin-3-yl]acetic acid (PubChem CID 66444371) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-[4-[(2R)-2-amino-2-phenylacetyl]thiomorpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2R)-2-amino-2-phenylacetyl]thiomorpholin-3-yl]acetic acid
PubChem CID66444371
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name2-[4-[(2R)-2-amino-2-phenylacetyl]thiomorpholin-3-yl]acetic acid
SMILESN[C@@H](C(=O)N1CCSCC1CC(=O)O)c1ccccc1
InChIInChI=1S/C14H18N2O3S/c15-13(10-4-2-1-3-5-10)14(19)16-6-7-20-9-11(16)8-12(17)18/h1-5,11,13H,6-9,15H2,(H,17,18)/t11?,13-/m1/s1
InChIKeySYEZNPFGVCXKNY-GLGOKHISSA-N
XLogP1.11
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-amino-2-thiophen-2-ylacetyl)thiomorpholin-3-yl]acetic acid
CID 115287462
2-(4-benzylthiomorpholin-3-yl)acetic acid
CID 66442992
2-[4-[2-(5-bromothiophen-2-yl)propanoyl]thiomorpholin-3-yl]acetic acid
CID 119210832
2-[4-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]thiomorpholin-3-yl]acetic acid
CID 103309230
2-[4-[2-(carbamoylamino)propanoyl]thiomorpholin-3-yl]acetic acid
CID 66444849
2-[4-[2-(aminomethyl)butanoyl]thiomorpholin-3-yl]acetic acid
CID 66443395
(2R)-2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-phenylethanone
CID 61409346
2-[4-(pyridazine-4-carbonyl)thiomorpholin-3-yl]acetic acid
CID 113352819
2-[4-[2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carbonyl]thiomorpholin-3-yl]acetic acid
CID 119210120
2-[4-(2-naphthalen-1-ylacetyl)thiomorpholin-3-yl]acetic acid
CID 119210887
2-[4-(2,3-dihydroxybenzoyl)thiomorpholin-3-yl]acetic acid
CID 114343400
2-[4-[(2-cyanophenyl)carbamoyl]thiomorpholin-3-yl]acetic acid
CID 66443344

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2R)-2-amino-2-phenylacetyl]thiomorpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-[(2R)-2-amino-2-phenylacetyl]thiomorpholin-3-yl]acetic acid (CID 66444371) is 2-[4-[(2R)-2-amino-2-phenylacetyl]thiomorpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-[(2R)-2-amino-2-phenylacetyl]thiomorpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-[(2R)-2-amino-2-phenylacetyl]thiomorpholin-3-yl]acetic acid is N[C@@H](C(=O)N1CCSCC1CC(=O)O)c1ccccc1.
What is the InChIKey of 2-[4-[(2R)-2-amino-2-phenylacetyl]thiomorpholin-3-yl]acetic acid?
The InChIKey is SYEZNPFGVCXKNY-GLGOKHISSA-N. The full InChI is InChI=1S/C14H18N2O3S/c15-13(10-4-2-1-3-5-10)14(19)16-6-7-20-9-11(16)8-12(17)18/h1-5,11,13H,6-9,15H2,(H,17,18)/t11?,13-/m1/s1.
What are the key properties of 2-[4-[(2R)-2-amino-2-phenylacetyl]thiomorpholin-3-yl]acetic acid?
2-[4-[(2R)-2-amino-2-phenylacetyl]thiomorpholin-3-yl]acetic acid has a molecular weight of 294.38 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2R)-2-amino-2-phenylacetyl]thiomorpholin-3-yl]acetic acid is sourced from PubChem (CID 66444371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).